2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene

C14H13IO2S — CID 91876566

IUPAC2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C14H13IO2S/c1-16-10-3-5-11(6-4-10)18-12-7-8-14(17-2)13(15)9-12/h3-9H,1-2H3
InChIKeyOKDGTAWYTXJVCF-UHFFFAOYSA-N
MW372.23 g/mol
LogP4.46
Rot. Bonds4

About 2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene

2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene (PubChem CID 91876566) has the molecular formula C14H13IO2S and a molecular weight of 372.23 g/mol. Its IUPAC name is 2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
PubChem CID91876566
Molecular FormulaC14H13IO2S
Molecular Weight372.23 g/mol
Exact Mass371.97
IUPAC Name2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C14H13IO2S/c1-16-10-3-5-11(6-4-10)18-12-7-8-14(17-2)13(15)9-12/h3-9H,1-2H3
InChIKeyOKDGTAWYTXJVCF-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylphenyl)sulfanyl-2-iodo-1-methoxybenzene
CID 91879120
2-iodo-1-methoxy-4-(4-nitrophenyl)sulfanylbenzene
CID 91878929
2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile
CID 91876567
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
CID 91879154
3-iodo-4-(4-methoxyphenyl)sulfanylaniline
CID 66093804
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene
CID 14778921
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene
CID 91877376
2-[5-(4-iodophenyl)sulfanyl-2-methoxyphenyl]acetic acid
CID 91877906
4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
CID 54033630

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
The IUPAC name of 2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene (CID 91876566) is 2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
The canonical SMILES for 2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene is COc1ccc(Sc2ccc(OC)c(I)c2)cc1.
What is the InChIKey of 2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
The InChIKey is OKDGTAWYTXJVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO2S/c1-16-10-3-5-11(6-4-10)18-12-7-8-14(17-2)13(15)9-12/h3-9H,1-2H3.
What are the key properties of 2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene has a molecular weight of 372.23 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 91876566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).